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Title: Water Adsorption on Mica Surfaces with Hydrophilicity Tuned by Counterion Types (Na, K, and Cs) and Structural Fluorination

Abstract

The stability of adsorbed water films on mineral surfaces has far-reaching implications in the Earth, environmental, and materials sciences. Here, in this study, we use the basal plane of phlogopite mica, an atomically smooth surface of a natural mineral, to investigate water film structure and stability as a function of two features that modulate surface hydrophilicity: the type of adsorbed counterions (Na, K, and Cs) and the substitution of structural OH groups by F atoms. We use molecular dynamics simulations combined with in situ high-resolution X-ray reflectivity to examine surface hydration over a range of water loadings, from the adsorption of isolated water molecules to the formation of clusters and films. We identify four regimes characterized by distinct adsorption energetics and different sensitivities to cation type and mineral fluorination: from 0 to 0.5 monolayer film thickness, the hydration of adsorbed ions; from 0.5 to 1 monolayer, the hydration of uncharged regions of the siloxane surface; from 1 to 1.5 monolayer, the attachment of isolated water molecules on the surface of the first monolayer; and for >1.5 monolayer, the formation of an incipient electrical double layer at the mineral–water interface.

Authors:
ORCiD logo [1]; ORCiD logo [2]; ORCiD logo [2]; ORCiD logo [3]; ORCiD logo [4]
+ Show Author Affiliations
  1. Department of Civil and Environmental Engineering, Princeton University, Princeton, New Jersey 08544, United States
  2. Chemical Sciences and Engineering Division, Argonne National Laboratory, 9700 South Cass Avenue, Lemont, Illinois 60439, United States
  3. Université Grenoble Alpes, Université Savoie Mont Blanc, CNRS, IRD, IFSTTAR, ISTerre, 38000 Grenoble, France
  4. Department of Civil and Environmental Engineering, Princeton University, Princeton, New Jersey 08544, United States, High Meadows Environmental Institute, Princeton University, Princeton, New Jersey 08544, United States
Publication Date:
Research Org.:
Argonne National Laboratory (ANL), Argonne, IL (United States); Princeton Univ., NJ (United States); Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES); USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division
OSTI Identifier:
2203589
Alternate Identifier(s):
OSTI ID: 1908825; OSTI ID: 1908930; OSTI ID: 1960412
Grant/Contract Number:  
AC02-06CH11357; SC0018419; AC02-05CH11231
Resource Type:
Published Article
Journal Name:
Journal of Physical Chemistry. C
Additional Journal Information:
Journal Name: Journal of Physical Chemistry. C Journal Volume: 126 Journal Issue: 38; Journal ID: ISSN 1932-7447
Publisher:
American Chemical Society
Country of Publication:
United States
Language:
English
Subject:
58 GEOSCIENCES; 77 NANOSCIENCE AND NANOTECHNOLOGY; 54 ENVIRONMENTAL SCIENCES; 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; 36 MATERIALS SCIENCE; adsorption; water; thin film; mica; hydrophilicity; cations; minerals; molecules; thickness; Adsorption, cations, minerals, molecules, thickness

Citation Formats

Koishi, Ayumi, Lee, Sang Soo, Fenter, Paul, Fernandez-Martinez, Alejandro, and Bourg, Ian C. Water Adsorption on Mica Surfaces with Hydrophilicity Tuned by Counterion Types (Na, K, and Cs) and Structural Fluorination. United States: N. p., 2022. Web. doi:10.1021/acs.jpcc.2c04751.
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Koishi, Ayumi, Lee, Sang Soo, Fenter, Paul, Fernandez-Martinez, Alejandro, & Bourg, Ian C. Water Adsorption on Mica Surfaces with Hydrophilicity Tuned by Counterion Types (Na, K, and Cs) and Structural Fluorination. United States. https://doi.org/10.1021/acs.jpcc.2c04751
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Koishi, Ayumi, Lee, Sang Soo, Fenter, Paul, Fernandez-Martinez, Alejandro, and Bourg, Ian C. Tue . "Water Adsorption on Mica Surfaces with Hydrophilicity Tuned by Counterion Types (Na, K, and Cs) and Structural Fluorination". United States. https://doi.org/10.1021/acs.jpcc.2c04751.
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@article{osti_2203589,
title = {Water Adsorption on Mica Surfaces with Hydrophilicity Tuned by Counterion Types (Na, K, and Cs) and Structural Fluorination},
author = {Koishi, Ayumi and Lee, Sang Soo and Fenter, Paul and Fernandez-Martinez, Alejandro and Bourg, Ian C.},
abstractNote = {The stability of adsorbed water films on mineral surfaces has far-reaching implications in the Earth, environmental, and materials sciences. Here, in this study, we use the basal plane of phlogopite mica, an atomically smooth surface of a natural mineral, to investigate water film structure and stability as a function of two features that modulate surface hydrophilicity: the type of adsorbed counterions (Na, K, and Cs) and the substitution of structural OH groups by F atoms. We use molecular dynamics simulations combined with in situ high-resolution X-ray reflectivity to examine surface hydration over a range of water loadings, from the adsorption of isolated water molecules to the formation of clusters and films. We identify four regimes characterized by distinct adsorption energetics and different sensitivities to cation type and mineral fluorination: from 0 to 0.5 monolayer film thickness, the hydration of adsorbed ions; from 0.5 to 1 monolayer, the hydration of uncharged regions of the siloxane surface; from 1 to 1.5 monolayer, the attachment of isolated water molecules on the surface of the first monolayer; and for >1.5 monolayer, the formation of an incipient electrical double layer at the mineral–water interface.},
doi = {10.1021/acs.jpcc.2c04751},
journal = {Journal of Physical Chemistry. C},
number = 38,
volume = 126,
place = {United States},
year = {Tue Sep 20 00:00:00 EDT 2022},
month = {Tue Sep 20 00:00:00 EDT 2022}
}
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https://doi.org/10.1021/acs.jpcc.2c04751
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Works referenced in this record:

Metal Cation Complexation with Natural Organic Matter in Aqueous Solutions: Molecular Dynamics Simulations and Potentials of Mean Force
journal, October 2010

  • Iskrenova-Tchoukova, Eugenia; Kalinichev, Andrey G.; Kirkpatrick, R. James
  • Langmuir, Vol. 26, Issue 20
  • DOI: 10.1021/la102535n

Hydrated Cation Speciation at the Muscovite (001)−Water Interface
journal, November 2010

  • Lee, Sang Soo; Fenter, Paul; Park, Changyong
  • Langmuir, Vol. 26, Issue 22
  • DOI: 10.1021/la1032866

Mechanism of adsorption of water vapor by muscovite: a model based on adsorption calorimetry
journal, June 2006

Engineering a Molecular Model for Water Phase Equilibrium over a Wide Temperature Range
journal, February 1998

  • Boulougouris, Georgios C.; Economou, Ioannis G.; Theodorou, Doros N.
  • The Journal of Physical Chemistry B, Vol. 102, Issue 6
  • DOI: 10.1021/jp972582l

Direct observation of anisotropic growth of water films on minerals driven by defects and surface tension
journal, July 2020

  • Yalcin, Sibel Ebru; Legg, Benjamin A.; Yeşilbaş, Merve
  • Science Advances, Vol. 6, Issue 30
  • DOI: 10.1126/sciadv.aaz9708

Anomalously low dielectric constant of confined water
journal, June 2018

Stern Layer Structure and Energetics at Mica–Water Interfaces
journal, April 2017

  • Bourg, Ian C.; Lee, Sang Soo; Fenter, Paul
  • The Journal of Physical Chemistry C, Vol. 121, Issue 17
  • DOI: 10.1021/acs.jpcc.7b01828

Structure of water adsorbed on smectites
journal, December 1982

Molecular Explanation for Why Talc Surfaces Can Be Both Hydrophilic and Hydrophobic
journal, December 2011

  • Rotenberg, Benjamin; Patel, Amish J.; Chandler, David
  • Journal of the American Chemical Society, Vol. 133, Issue 50
  • DOI: 10.1021/ja208687a

Heterogeneous Condensation of Water on the Mica (001) Surface: A Molecular Dynamics Simulation Work
journal, March 2017

  • Ou, Xinwen; Wang, Xiaofeng; Lin, Zhang
  • The Journal of Physical Chemistry C, Vol. 121, Issue 12
  • DOI: 10.1021/acs.jpcc.7b00855

Visualization of Ion Distribution at the Mica−Electrolyte Interface
journal, May 2010

  • Loh, Siu-Hong; Jarvis, Suzanne P.
  • Langmuir, Vol. 26, Issue 12
  • DOI: 10.1021/la1011378

Structure, Energetics, and Dynamics of Water Adsorbed on the Muscovite (001) Surface:  A Molecular Dynamics Simulation
journal, August 2005

  • Wang, Jianwei; Kalinichev, Andrey G.; Kirkpatrick, R. James
  • The Journal of Physical Chemistry B, Vol. 109, Issue 33
  • DOI: 10.1021/jp045299c

Internal Domains of Natural Porous Media Revealed: Critical Locations for Transport, Storage, and Chemical Reaction
journal, February 2016

  • Zachara, John; Brantley, Sue; Chorover, Jon
  • Environmental Science & Technology, Vol. 50, Issue 6
  • DOI: 10.1021/acs.est.5b05015

Intrinsic hydrophobicity of smectite basal surfaces quantitatively probed by molecular dynamics simulations
journal, April 2020

Film Straining of Colloids in Unsaturated Porous Media:  Conceptual Model and Experimental Testing
journal, August 1997

  • Wan, Jiamin; Tokunaga, Tetsu K.
  • Environmental Science & Technology, Vol. 31, Issue 8
  • DOI: 10.1021/es970017q

Formation of hydroxyl and water layers on MgO films studied with ambient pressure XPS
journal, January 2011

Microscale pH variations during drying of soils and desert biocrusts affect HONO and NH3 emissions
journal, September 2019

Direct and quantitative comparison of pixelated density profiles with high-resolution X-ray reflectivity data
journal, November 2010

Dynamics of Water Interacting with Interfaces, Molecules, and Ions.
journal, March 2011

  • Fayer, Michael D.
  • Accounts of Chemical Research, Vol. 45, Issue 1
  • DOI: 10.1021/ar2000088

Role of Mono- and Divalent Surface Cations on the Structure and Adsorption Behavior of Water on Mica Surface
journal, November 2018

FT-IR Study of Water Adsorption on Aluminum Oxide Surfaces
journal, January 2003

  • Al-Abadleh, Hind A.; Grassian, V. H.
  • Langmuir, Vol. 19, Issue 2
  • DOI: 10.1021/la026208a

Vapor adsorption on mica and silicon: entropy effects, layering, and surface forces
journal, April 1992

  • Beaglehole, D.; Christenson, H. K.
  • The Journal of Physical Chemistry, Vol. 96, Issue 8
  • DOI: 10.1021/j100187a040

Surface geochemistry of the clay minerals
journal, March 1999

  • Sposito, G.; Skipper, N. T.; Sutton, R.
  • Proceedings of the National Academy of Sciences, Vol. 96, Issue 7
  • DOI: 10.1073/pnas.96.7.3358

Mobility of Na and Cs on Montmorillonite Surface under Partially Saturated Conditions
journal, August 2013

  • Churakov, Sergey V.
  • Environmental Science & Technology, Vol. 47, Issue 17
  • DOI: 10.1021/es401530n

Fluorine follows water: Effect on electrical conductivity of silicate minerals by experimental constraints from phlogopite
journal, November 2017

Structure of Water Adsorbed on a Mica Surface
journal, August 2002

Critical Water Coverage during Forsterite Carbonation in Thin Water Films: Activating Dissolution and Mass Transport
journal, May 2020

  • Placencia-Gómez, Edmundo; Kerisit, Sebastien N.; Mehta, Hardeep S.
  • Environmental Science & Technology, Vol. 54, Issue 11
  • DOI: 10.1021/acs.est.0c00897

Ab Initio Molecular Dynamics Study of a Monomolecular Water Layer on Octahedral and Tetrahedral Kaolinite Surfaces
journal, April 2004

  • Tunega, Daniel; Gerzabek, Martin H.; Lischka, Hans
  • The Journal of Physical Chemistry B, Vol. 108, Issue 19
  • DOI: 10.1021/jp037121g

Adsorption Isotherms of Water on Mica: Redistribution and Film Growth
journal, January 2009

  • Malani, Ateeque; Ayappa, K. G.
  • The Journal of Physical Chemistry B, Vol. 113, Issue 4
  • DOI: 10.1021/jp805730p

Molecular Structure and Dynamics in Thin Water Films at Metal Oxide Surfaces: Magnesium, Aluminum, and Silicon Oxide Surfaces
journal, June 2012

  • Phan, Anh; Ho, Tuan A.; Cole, D. R.
  • The Journal of Physical Chemistry C, Vol. 116, Issue 30
  • DOI: 10.1021/jp300679v

The Structural Microscopic Hydrophilicity of Talc
journal, October 1994

  • Michot, L. J.; Villieras, F.; Francois, M.
  • Langmuir, Vol. 10, Issue 10
  • DOI: 10.1021/la00022a061

Mechanism and Thermodynamics of Ion Selectivity in Aqueous Solutions of 18-Crown-6 Ether: A Molecular Dynamics Study
journal, July 1995

  • Dang, Liem X.
  • Journal of the American Chemical Society, Vol. 117, Issue 26
  • DOI: 10.1021/ja00131a018

Thin Film Water on Muscovite Mica
journal, May 2001

  • Cantrell, ; Ewing, George E.
  • The Journal of Physical Chemistry B, Vol. 105, Issue 23, p. 5434-5439
  • DOI: 10.1021/jp004305b

Two Dimensional Ice Adsorbed on Mica Surface
journal, April 1997

The structure of molecularly thin films of water on mica in humid environments
journal, December 1995

Imaging Water Thin Films in Ambient Conditions Using Atomic Force Microscopy
journal, March 2016

  • Santos, Sergio; Verdaguer, Albert
  • Materials, Vol. 9, Issue 3
  • DOI: 10.3390/ma9030182

Particle Size Controls on Water Adsorption and Condensation Regimes at Mineral Surfaces
journal, August 2016

  • Yeşilbaş, Merve; Boily, Jean-François
  • Scientific Reports, Vol. 6, Issue 1
  • DOI: 10.1038/srep32136

Competition between Displacement and Dissociation of a Strong Acid Compared to a Weak Acid Adsorbed on Silica Particle Surfaces: The Role of Adsorbed Water
journal, June 2016

  • Fang, Yuan; Tang, Mingjin; Grassian, Vicki H.
  • The Journal of Physical Chemistry A, Vol. 120, Issue 23
  • DOI: 10.1021/acs.jpca.6b02262

Interactions of Water with Mineral Dust Aerosol: Water Adsorption, Hygroscopicity, Cloud Condensation, and Ice Nucleation
journal, March 2016

Quasi-stabilized hydration layers on muscovite mica under a thin water film grown from humid air
journal, June 2017

Water Revisited
journal, July 1980

Water Dynamics in Hectorite Clays: Infuence of Temperature Studied by Coupling Neutron Spin Echo and Molecular Dynamics
journal, April 2011

  • Marry, Virginie; Dubois, Emmanuelle; Malikova, Natalie
  • Environmental Science & Technology, Vol. 45, Issue 7
  • DOI: 10.1021/es1031932

Enthalpy of Water Adsorption and Surface Enthalpy of Goethite (α-FeOOH) and Hematite (α-Fe 2 O 3 )
journal, February 2007

  • Mazeina, Lena; Navrotsky, Alexandra
  • Chemistry of Materials, Vol. 19, Issue 4
  • DOI: 10.1021/cm0623817

Assembly of clay mineral platelets, tactoids, and aggregates: Effect of mineral structure and solution salinity
journal, April 2020

  • Dor, Maoz; Levi-Kalisman, Yael; Day-Stirrat, Ruarri J.
  • Journal of Colloid and Interface Science, Vol. 566
  • DOI: 10.1016/j.jcis.2020.01.084

Thermodynamics of solvation of ions. Part 5.—Gibbs free energy of hydration at 298.15 K
journal, January 1991

Structure and properties of water film adsorbed on mica surfaces
journal, September 2015

  • Zhao, Gutian; Tan, Qiyan; Xiang, Li
  • The Journal of Chemical Physics, Vol. 143, Issue 10
  • DOI: 10.1063/1.4930274

The Nature of Water Nucleation Sites on TiO 2 (110) Surfaces Revealed by Ambient Pressure X-ray Photoelectron Spectroscopy
journal, June 2007

  • Ketteler, Guido; Yamamoto, Susumu; Bluhm, Hendrik
  • The Journal of Physical Chemistry C, Vol. 111, Issue 23
  • DOI: 10.1021/jp068606i

Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes
journal, March 1977

  • Ryckaert, Jean-Paul; Ciccotti, Giovanni; Berendsen, Herman J. C.
  • Journal of Computational Physics, Vol. 23, Issue 3
  • DOI: 10.1016/0021-9991(77)90098-5

Fast Parallel Algorithms for Short-Range Molecular Dynamics
journal, March 1995

In situ imaging of orthoclase–aqueous solution interfaces with x-ray reflection interface microscopy
journal, November 2011

  • Fenter, P.; Lee, S. S.; Zhang, Z.
  • Journal of Applied Physics, Vol. 110, Issue 10
  • DOI: 10.1063/1.3661978

Thin Ice Films at Mineral Surfaces
journal, June 2016

  • Yeşilbaş, Merve; Boily, Jean-François
  • The Journal of Physical Chemistry Letters, Vol. 7, Issue 14
  • DOI: 10.1021/acs.jpclett.6b01037

On the role of water density fluctuations in the inhibition of a proton channel
journal, December 2016

  • Gianti, Eleonora; Delemotte, Lucie; Klein, Michael L.
  • Proceedings of the National Academy of Sciences, Vol. 113, Issue 52
  • DOI: 10.1073/pnas.1609964114

Smectite fluorination and its impact on interlayer water content and structure: A way to fine tune the hydrophilicity of clay surfaces?
journal, November 2013

Probing Outer-Sphere Adsorption of Aqueous Metal Complexes at the Oxide-Water Interface with Resonant Anomalous X-Ray Reflectivity
journal, February 2005

Interaction Models for Water in Relation to Protein Hydration
book, January 1981

  • Berendsen, H. J. C.; Postma, J. P. M.; van Gunsteren, W. F.
  • The Jerusalem Symposia on Quantum Chemistry and Biochemistry
  • DOI: 10.1007/978-94-015-7658-1_21

Ambient pressure photoelectron spectroscopy: A new tool for surface science and nanotechnology
journal, April 2008

Energetics of hydration on uranium oxide and peroxide surfaces
journal, June 2019

  • Guo, Xiaofeng; Wu, Di; Ushakov, Sergey V.
  • Journal of Materials Research, Vol. 34, Issue 19
  • DOI: 10.1557/jmr.2019.192

Structure and Dynamics of Water—Smectite Interfaces: Hydrogen Bonding and the Origin of the Sharp O–D W /O–H W Infrared Band From Molecular Simulations
journal, August 2016

  • Szczerba, Marek; Kuligiewicz, Artur; Derkowski, Arkadiusz
  • Clays and Clay Minerals, Vol. 64, Issue 4
  • DOI: 10.1346/ccmn.2016.0640409

In situ x-ray photoelectron spectroscopy studies of water on metals and oxides at ambient conditions
journal, April 2008

Effects of substrate structure and composition on the structure, dynamics, and energetics of water at mineral surfaces: A molecular dynamics modeling study
journal, February 2006

  • Wang, Jianwei; Kalinichev, Andrey G.; Kirkpatrick, R. James
  • Geochimica et Cosmochimica Acta, Vol. 70, Issue 3
  • DOI: 10.1016/j.gca.2005.10.006

Bond-Valence Constraints on Liquid Water Structure
journal, March 2009

  • Bickmore, Barry R.; Rosso, Kevin M.; Brown, I. David
  • The Journal of Physical Chemistry A, Vol. 113, Issue 9
  • DOI: 10.1021/jp810364t

Molecular dynamics simulations of the colloidal interaction between smectite clay nanoparticles in liquid water
journal, February 2021

Energy Landscape of Water and Ethanol on Silica Surfaces
journal, June 2015

Characterizing Unsaturated Diffusion in Porous Tuff Gravel
journal, November 2004

  • Hu, Q.; Kneafsey, T. J.; Roberts, J. J.
  • Vadose Zone Journal, Vol. 3, Issue 4
  • DOI: 10.2113/3.4.1425

Molecular Models of Hydroxide, Oxyhydroxide, and Clay Phases and the Development of a General Force Field
journal, January 2004

  • Cygan, Randall T.; Liang, Jian-Jie; Kalinichev, Andrey G.
  • The Journal of Physical Chemistry B, Vol. 108, Issue 4
  • DOI: 10.1021/jp0363287

Pore-Scale Analysis of Evaporation and Condensation Dynamics in Porous Media
journal, September 2010

Ion-Specific and pH-Dependent Hydration of Mica–Electrolyte Interfaces
journal, April 2019

Role(s) of adsorbed water in the surface chemistry of environmental interfaces
journal, January 2013

  • Rubasinghege, Gayan; Grassian, Vicki H.
  • Chemical Communications, Vol. 49, Issue 30
  • DOI: 10.1039/c3cc38872g

Thickness-dependent ordering of water layers at the NaCl(100) surface
journal, May 2004

  • Arsic, J.; Kaminski, D. M.; Radenovic, N.
  • The Journal of Chemical Physics, Vol. 120, Issue 20
  • DOI: 10.1063/1.1712971

Hydrophobicity of Proteins and Interfaces: Insights from Density Fluctuations
journal, July 2011

Epitaxial Growth of Gibbsite Sheets on the Basal Surface of Muscovite Mica
journal, October 2019

  • Stubbs, Joanne E.; Legg, Benjamin A.; Lee, Sang Soo
  • The Journal of Physical Chemistry C, Vol. 123, Issue 45
  • DOI: 10.1021/acs.jpcc.9b08219

Direct observation of ionic structure at solid-liquid interfaces: a deep look into the Stern Layer
journal, May 2014

  • Siretanu, Igor; Ebeling, Daniel; Andersson, Martin P.
  • Scientific Reports, Vol. 4, Issue 1
  • DOI: 10.1038/srep04956

Adsorption of SO2 on mineral dust particles influenced by atmospheric moisture
journal, October 2018

Structure of the Hydrated -Al2O3 (0001) Surface
journal, May 2000

Enthalpy of water adsorption and surface enthalpy of lepidocrocite (γ-FeOOH)
journal, February 2007

  • Majzlan, Juraj; Mazeina, Lena; Navrotsky, Alexandra
  • Geochimica et Cosmochimica Acta, Vol. 71, Issue 3
  • DOI: 10.1016/j.gca.2006.10.010

Hydrogen bonding and molecular orientations across thin water films on sapphire
journal, November 2019

  • Boily, Jean-François; Fu, Li; Tuladhar, Aashish
  • Journal of Colloid and Interface Science, Vol. 555
  • DOI: 10.1016/j.jcis.2019.08.028

Water Film Adsorbed on the α-Al 2 O 3 (0001) Surface: Structural Properties and Dynamical Behaviors from First-Principles Molecular Dynamics Simulations
journal, January 2016

  • Ma, Shang-Yi; Liu, Li-Ming; Wang, Shao-Qing
  • The Journal of Physical Chemistry C, Vol. 120, Issue 10
  • DOI: 10.1021/acs.jpcc.5b10695

Molecular layering of water at surfaces and origin of repulsive hydration forces
journal, November 1983

  • Israelachvili, Jacob N.; Pashley, Richard M.
  • Nature, Vol. 306, Issue 5940
  • DOI: 10.1038/306249a0

Relating Organic Fouling in Membrane Distillation to Intermolecular Adhesion Forces and Interfacial Surface Energies
journal, November 2018

  • Boo, Chanhee; Hong, Seungkwan; Elimelech, Menachem
  • Environmental Science & Technology, Vol. 52, Issue 24
  • DOI: 10.1021/acs.est.8b05768

Measuring the true height of water films on surfaces
journal, October 2011

Molecular dynamics simulations of the electrical double layer on smectite surfaces contacting concentrated mixed electrolyte (NaCl–CaCl2) solutions
journal, August 2011

Structure and dynamics of forsterite–scCO2/H2O interfaces as a function of water content
journal, May 2012

  • Kerisit, Sebastien; Weare, John H.; Felmy, Andrew R.
  • Geochimica et Cosmochimica Acta, Vol. 84
  • DOI: 10.1016/j.gca.2012.01.038

Cation sorption on the muscovite (001) surface in chloride solutions using high-resolution X-ray reflectivity
journal, July 2006

  • Schlegel, Michel L.; Nagy, Kathryn. L.; Fenter, Paul
  • Geochimica et Cosmochimica Acta, Vol. 70, Issue 14
  • DOI: 10.1016/j.gca.2006.04.011

Water Adsorption on α-Fe 2 O 3 (0001) at near Ambient Conditions
journal, January 2010

  • Yamamoto, Susumu; Kendelewicz, Tom; Newberg, John T.
  • The Journal of Physical Chemistry C, Vol. 114, Issue 5
  • DOI: 10.1021/jp909876t

Fluoride—fluoride association in water from molecular dynamics simulations
journal, November 1992

Molecular Dynamics Simulations of Water and Sodium Diffusion in Smectite Interlayer Nanopores as a Function of Pore Size and Temperature
journal, December 2013

  • Holmboe, Michael; Bourg, Ian C.
  • The Journal of Physical Chemistry C, Vol. 118, Issue 2
  • DOI: 10.1021/jp408884g

Comparison of Multilayer Water Adsorption on the Hydrophobic Galena (PbS) and Hydrophilic Pyrite (FeS2) Surfaces: A DFT Study
journal, May 2014

  • Chen, Jianhua; Long, Xianhao; Chen, Ye
  • The Journal of Physical Chemistry C, Vol. 118, Issue 22
  • DOI: 10.1021/jp5000478

X-ray-driven reaction front dynamics at calcite-water interfaces
journal, September 2015

The intracellular environment affects protein–protein interactions
journal, March 2021

  • Speer, Shannon L.; Zheng, Wenwen; Jiang, Xin
  • Proceedings of the National Academy of Sciences, Vol. 118, Issue 11
  • DOI: 10.1073/pnas.2019918118

Comparison of the surface structure of the tetrahedral sheets of muscovite and phlogopite by AFM
journal, February 2001

Hydration layer structure at solid–water interfaces
journal, December 2014

Changes in adsorption free energy and speciation during competitive adsorption between monovalent cations at the muscovite (001)-water interface
journal, December 2013

The Effect of Surface Ions on Water Adsorption to Mica †
journal, February 2008

  • Balmer, T. E.; Christenson, H. K.; Spencer, N. D.
  • Langmuir, Vol. 24, Issue 4
  • DOI: 10.1021/la702391m

From hydrophobic to hydrophilic behaviour: A simulation study of solvation entropy and free energy of simple solutes
journal, August 1997

  • Lynden-Bell, R. M.; Rasaiah, J. C.
  • The Journal of Chemical Physics, Vol. 107, Issue 6
  • DOI: 10.1063/1.474550
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